1,1,1,7,7,7-hexafluoro-2-methylheptane

C8H12F6 — CID 175563823

IUPAC1,1,1,7,7,7-hexafluoro-2-methylheptane
SMILESCC(CCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-6(8(12,13)14)4-2-3-5-7(9,10)11/h6H,2-5H2,1H3
InChIKeyHLYLKTRGCQLPOH-UHFFFAOYSA-N
MW222.17 g/mol
LogP4.31
Rot. Bonds4

About 1,1,1,7,7,7-hexafluoro-2-methylheptane

1,1,1,7,7,7-hexafluoro-2-methylheptane (PubChem CID 175563823) has the molecular formula C8H12F6 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,1,1,7,7,7-hexafluoro-2-methylheptane.

Molecular Properties

Compound Name1,1,1,7,7,7-hexafluoro-2-methylheptane
PubChem CID175563823
Molecular FormulaC8H12F6
Molecular Weight222.17 g/mol
Exact Mass222.08
IUPAC Name1,1,1,7,7,7-hexafluoro-2-methylheptane
SMILESCC(CCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-6(8(12,13)14)4-2-3-5-7(9,10)11/h6H,2-5H2,1H3
InChIKeyHLYLKTRGCQLPOH-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
1,1,1-trifluoro-2,10,10-trimethylundecane
CID 89223709
1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
CID 175415315
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
CID 150443837
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
bis(2,2-dimethylbutane);2,3-dimethylbutane;3-methylpentane;1,1,1-trifluoroheptane;(2S)-1,1,1-trifluoro-2-methylhexane
CID 165037121
1,1,1,5,5,5-hexafluoro-2-methylpentane;methane;1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 159118137
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435

Frequently Asked Questions

What is the IUPAC name of 1,1,1,7,7,7-hexafluoro-2-methylheptane?
The IUPAC name of 1,1,1,7,7,7-hexafluoro-2-methylheptane (CID 175563823) is 1,1,1,7,7,7-hexafluoro-2-methylheptane.
What is the SMILES notation for 1,1,1,7,7,7-hexafluoro-2-methylheptane?
The canonical SMILES for 1,1,1,7,7,7-hexafluoro-2-methylheptane is CC(CCCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,7,7,7-hexafluoro-2-methylheptane?
The InChIKey is HLYLKTRGCQLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6/c1-6(8(12,13)14)4-2-3-5-7(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 1,1,1,7,7,7-hexafluoro-2-methylheptane?
1,1,1,7,7,7-hexafluoro-2-methylheptane has a molecular weight of 222.17 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,7-hexafluoro-2-methylheptane is sourced from PubChem (CID 175563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).